(2S,3E)-2-butoxy-3-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-methyl-chromen-4-one

Systemtic Name: (2S,3E)-2-butoxy-3-[[(4-chloranyl-1,3-benzothiazol-2-yl)amino]methylidene]-6-methyl-chromen-4-one Openeye Name: (2S,3E)-2-butoxy-3-[[(4-chloro-1,3-benzothiazol-2-yl)amino]methylene]-6-methyl-chroman-4-one CAS Name: (2S,3E)-2-butoxy-3-[[(4-chloro-1,3-benzothiazol-2-yl)amino]methylidene]-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (2S,3E)-2-butoxy-3-[[(4-chloro-1,3-benzothiazol-2-yl)amino]methylidene]-6-methylchromen-4-one Traditional Name: (2S,3E)-2-butoxy-3-[[(4-chloro-1,3-benzothiazol-2-yl)amino]methylene]-6-methyl-chroman-4-one Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1C(=CNC2=NC3=C(S2)C=CC=C3Cl)C(=O)C4=C(O1)C=CC(=C4)C

Isomeric SMILES

CCCCO[C@@H]1/C(=C\NC2=NC3=C(S2)C=CC=C3Cl)/C(=O)C4=C(O1)C=CC(=C4)C

InChI

InChI=1S/C22H21ClN2O3S/c1-3-4-10-27-21-15(20(26)14-11-13(2)8-9-17(14)28-21)12-24-22-25-19-16(23)6-5-7-18(19)29-22/h5-9,11-12,21H,3-4,10H2,1-2H3,(H,24,25)/b15-12-/t21-/m0/s1